5-(2-methoxy-4-pyridinyl)-3-quinolin-2-yl-1,2,4-oxadiazole

C17H12N4O2 — CID 146420394

IUPAC5-(2-methoxy-4-pyridinyl)-3-quinolin-2-yl-1,2,4-oxadiazole
SMILESCOc1cc(-c2nc(-c3ccc4ccccc4n3)no2)ccn1
InChIInChI=1S/C17H12N4O2/c1-22-15-10-12(8-9-18-15)17-20-16(21-23-17)14-7-6-11-4-2-3-5-13(11)19-14/h2-10H,1H3
InChIKeyKYEBZSQEZSMKMY-UHFFFAOYSA-N
MW304.31 g/mol
LogP3.36
Rot. Bonds3

About 5-(2-methoxy-4-pyridinyl)-3-quinolin-2-yl-1,2,4-oxadiazole

5-(2-methoxy-4-pyridinyl)-3-quinolin-2-yl-1,2,4-oxadiazole (PubChem CID 146420394) has the molecular formula C17H12N4O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is 5-(2-methoxy-4-pyridinyl)-3-quinolin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-methoxy-4-pyridinyl)-3-quinolin-2-yl-1,2,4-oxadiazole
PubChem CID146420394
Molecular FormulaC17H12N4O2
Molecular Weight304.31 g/mol
Exact Mass304.10
IUPAC Name5-(2-methoxy-4-pyridinyl)-3-quinolin-2-yl-1,2,4-oxadiazole
SMILESCOc1cc(-c2nc(-c3ccc4ccccc4n3)no2)ccn1
InChIInChI=1S/C17H12N4O2/c1-22-15-10-12(8-9-18-15)17-20-16(21-23-17)14-7-6-11-4-2-3-5-13(11)19-14/h2-10H,1H3
InChIKeyKYEBZSQEZSMKMY-UHFFFAOYSA-N
XLogP3.36
TPSA73.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-(2-methoxy-4-pyridinyl)-3-quinolin-2-yl-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxy-4-pyridinyl)-3-quinolin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(2-methoxy-4-pyridinyl)-3-quinolin-2-yl-1,2,4-oxadiazole (CID 146420394) is 5-(2-methoxy-4-pyridinyl)-3-quinolin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-methoxy-4-pyridinyl)-3-quinolin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-methoxy-4-pyridinyl)-3-quinolin-2-yl-1,2,4-oxadiazole is COc1cc(-c2nc(-c3ccc4ccccc4n3)no2)ccn1.
What is the InChIKey of 5-(2-methoxy-4-pyridinyl)-3-quinolin-2-yl-1,2,4-oxadiazole?
The InChIKey is KYEBZSQEZSMKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O2/c1-22-15-10-12(8-9-18-15)17-20-16(21-23-17)14-7-6-11-4-2-3-5-13(11)19-14/h2-10H,1H3.
What are the key properties of 5-(2-methoxy-4-pyridinyl)-3-quinolin-2-yl-1,2,4-oxadiazole?
5-(2-methoxy-4-pyridinyl)-3-quinolin-2-yl-1,2,4-oxadiazole has a molecular weight of 304.31 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxy-4-pyridinyl)-3-quinolin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 146420394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).